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Title: Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers

Abstract

Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic environment on a quantum simulator may be achieved by coupling independent ancilla qubits that facilitate energy exchange in an appropriate manner with the system and mimic an environment. This approach requires a large, and possibly exponential number of ancillary degrees of freedom which is impractical. In contrast, we develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. By combining periodic modulation of the ancilla energies, or spectral combing, with periodic reset operations, we are able to mimic interaction with a large environment and generate thermal states of interacting many-body systems. We evaluate the algorithm by simulating preparation of thermal states of the transverse Ising model. Our algorithm can also be viewed as a quantum Markov chain Monte Carlo process that allows sampling of the Gibbs distribution of a multivariate model. To demonstrate this we evaluate the accuracy of sampling Gibbs distributions of simple probabilistic graphical models using the algorithm.

Authors:
ORCiD logo [1];  [2];  [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. North Carolina State Univ., Raleigh, NC (United States)
  3. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
OSTI Identifier:
1771971
Alternate Identifier(s):
OSTI ID: 1963670
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Quantum Science and Technology
Additional Journal Information:
Journal Volume: 7; Journal Issue: 2; Journal ID: ISSN 2058-9565
Publisher:
IOPscience
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS

Citation Formats

Metcalf, Mekena, Stone, Emma, Klymko, Katherine, Kemper, Alexander F., Sarovar, Mohan, and de Jong, Wibe A. Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers. United States: N. p., 2022. Web. doi:10.1088/2058-9565/ac546a.
Metcalf, Mekena, Stone, Emma, Klymko, Katherine, Kemper, Alexander F., Sarovar, Mohan, & de Jong, Wibe A. Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers. United States. https://doi.org/10.1088/2058-9565/ac546a
Metcalf, Mekena, Stone, Emma, Klymko, Katherine, Kemper, Alexander F., Sarovar, Mohan, and de Jong, Wibe A. Tue . "Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers". United States. https://doi.org/10.1088/2058-9565/ac546a. https://www.osti.gov/servlets/purl/1771971.
@article{osti_1771971,
title = {Quantum Markov chain Monte Carlo with digital dissipative dynamics on quantum computers},
author = {Metcalf, Mekena and Stone, Emma and Klymko, Katherine and Kemper, Alexander F. and Sarovar, Mohan and de Jong, Wibe A.},
abstractNote = {Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic environment on a quantum simulator may be achieved by coupling independent ancilla qubits that facilitate energy exchange in an appropriate manner with the system and mimic an environment. This approach requires a large, and possibly exponential number of ancillary degrees of freedom which is impractical. In contrast, we develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. By combining periodic modulation of the ancilla energies, or spectral combing, with periodic reset operations, we are able to mimic interaction with a large environment and generate thermal states of interacting many-body systems. We evaluate the algorithm by simulating preparation of thermal states of the transverse Ising model. Our algorithm can also be viewed as a quantum Markov chain Monte Carlo process that allows sampling of the Gibbs distribution of a multivariate model. To demonstrate this we evaluate the accuracy of sampling Gibbs distributions of simple probabilistic graphical models using the algorithm.},
doi = {10.1088/2058-9565/ac546a},
journal = {Quantum Science and Technology},
number = 2,
volume = 7,
place = {United States},
year = {Tue Mar 08 00:00:00 EST 2022},
month = {Tue Mar 08 00:00:00 EST 2022}
}

Works referenced in this record:

Artificial quantum thermal bath: Engineering temperature for a many-body quantum system
journal, November 2016


Collective motions of hydrogen bonds
journal, November 1963


Universal simulation of Markovian quantum dynamics
journal, November 2001


Quantum Metropolis sampling
journal, March 2011

  • Temme, K.; Osborne, T. J.; Vollbrecht, K. G.
  • Nature, Vol. 471, Issue 7336
  • DOI: 10.1038/nature09770

Speedup via quantum sampling
journal, October 2008


Quantum speedup of Monte Carlo methods
journal, September 2015

  • Montanaro, Ashley
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 471, Issue 2181
  • DOI: 10.1098/rspa.2015.0301

Engineered thermalization and cooling of quantum many-body systems
journal, May 2020


Generation of thermofield double states and critical ground states with a quantum computer
journal, September 2020

  • Zhu, D.; Johri, S.; Linke, N. M.
  • Proceedings of the National Academy of Sciences, Vol. 117, Issue 41
  • DOI: 10.1073/pnas.2006337117

A quantum-quantum Metropolis algorithm
journal, January 2012

  • Yung, M. -H.; Aspuru-Guzik, A.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 3
  • DOI: 10.1073/pnas.1111758109

A comparison of algorithms for inference and learning in probabilistic graphical models
journal, September 2005

  • Frey, B. J.; Jojic, N.
  • IEEE Transactions on Pattern Analysis and Machine Intelligence, Vol. 27, Issue 9
  • DOI: 10.1109/tpami.2005.169

Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
journal, November 2019


Minimally entangled typical thermal state algorithms
journal, May 2010


Faster quantum simulation by randomization
journal, September 2019


Ising model in a transverse field. I. Basic theory
journal, August 1973


Quantum Simulation of Dissipative Processes without Reservoir Engineering
journal, May 2015

  • Di Candia, R.; Pedernales, J. S.; del Campo, A.
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep09981

Quantum digital cooling
journal, July 2021


Lower bounds to the spectral gap of Davies generators
journal, December 2013

  • Temme, Kristan
  • Journal of Mathematical Physics, Vol. 54, Issue 12
  • DOI: 10.1063/1.4850896

Ising model in a transverse field. I. Basic theory
journal, August 1973


A comparison of algorithms for inference and learning in probabilistic graphical models
journal, September 2005

  • Frey, B. J.; Jojic, N.
  • IEEE Transactions on Pattern Analysis and Machine Intelligence, Vol. 27, Issue 9
  • DOI: 10.1109/tpami.2005.169

Bayesian Learning in Undirected Graphical Models: Approximate MCMC algorithms
preprint, January 2012